2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

C20H17N3O5S2 — CID 4882145

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H17N3O5S2/c24-19(13-29-20-23-17-5-1-2-6-18(17)28-20)22-14-7-9-16(10-8-14)30(25,26)21-12-15-4-3-11-27-15/h1-11,21H,12-13H2,(H,22,24)
InChIKeyVTFGIOABZNTPQW-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.63
Rot. Bonds8

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 4882145) has the molecular formula C20H17N3O5S2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID4882145
Molecular FormulaC20H17N3O5S2
Molecular Weight443.51 g/mol
Exact Mass443.06
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H17N3O5S2/c24-19(13-29-20-23-17-5-1-2-6-18(17)28-20)22-14-7-9-16(10-8-14)30(25,26)21-12-15-4-3-11-27-15/h1-11,21H,12-13H2,(H,22,24)
InChIKeyVTFGIOABZNTPQW-UHFFFAOYSA-N
XLogP3.63
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 4882145) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is VTFGIOABZNTPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S2/c24-19(13-29-20-23-17-5-1-2-6-18(17)28-20)22-14-7-9-16(10-8-14)30(25,26)21-12-15-4-3-11-27-15/h1-11,21H,12-13H2,(H,22,24).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4882145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).